zinc 10-(4-chlorophenyl)sulfanyl-5,15-diphenyl-porphyrin-22,23-diide

Systemtic Name: zinc 10-(4-chlorophenyl)sulfanyl-5,15-diphenyl-porphyrin-22,23-diide Openeye Name: zinc 10-(4-chlorophenyl)sulfanyl-5,15-diphenyl-porphyrin-22,23-diide CAS Name: zinc 10-[(4-chlorophenyl)thio]-5,15-diphenylporphyrin-22,23-diide IUPAC Name: zinc 10-(4-chlorophenyl)sulfanyl-5,15-diphenylporphyrin-22,23-diide Traditional Name: zinc 10-[(4-chlorophenyl)thio]-5,15-diphenyl-porphine-22,23-diide Formula: C38H23ClN4SZn MolecularWeight: 668.54302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=CC=C7)SC8=CC=C(C=C8)Cl)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C=C6C=CC2=N6)C7=CC=CC=C7)SC8=CC=C(C=C8)Cl)[N-]3.[Zn+2]

InChI

InChI=1S/C38H23ClN4S.Zn/c39-26-11-15-29(16-12-26)44-38-34-21-19-32(42-34)36(24-7-3-1-4-8-24)30-17-13-27(40-30)23-28-14-18-31(41-28)37(25-9-5-2-6-10-25)33-20-22-35(38)43-33;/h1-23H;/q-2;+2